lmmentel / batchcalculatorLinks
Batch Calculator for Zeolite synthesis
☆11Updated last year
Alternatives and similar repositories for batchcalculator
Users that are interested in batchcalculator are comparing it to the libraries listed below
Sorting:
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆83Updated last week
- A Knowledge Graph of Common Chemical Names to their Molecular Definition☆174Updated last year
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated 2 weeks ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆132Updated last year
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆281Updated last month
- Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.☆86Updated 5 months ago
- Development of the Chemical JSON data representation☆67Updated 3 months ago
- General purpose tools for high-throughput catalysis☆102Updated 8 months ago
- An interactive structure/property explorer for materials and molecules☆167Updated this week
- python simulation interface for molecular modeling☆103Updated 3 years ago
- Python wrapper for the ChemSpider API☆121Updated 7 years ago
- A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.☆278Updated 2 months ago
- ☆102Updated 4 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆65Updated this week
- ChemML is a machine learning and informatics program suite for the chemical and materials sciences.☆171Updated 2 months ago
- ☆21Updated 3 weeks ago
- A knowledge graph for Materials Science.☆75Updated last year
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆31Updated 2 weeks ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Updated 5 months ago
- molSimplify code☆210Updated 2 weeks ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22Updated 8 months ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 5 months ago
- Generate nice icons of molecules with a python script☆88Updated last month
- NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.☆104Updated this week
- Forge is the Python package to access data in the Materials Data Facility☆31Updated 3 years ago
- Schema for the Open Reaction Database☆109Updated 7 months ago
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Updated 8 months ago
- ML4Chem: Machine Learning for Chemistry and Materials☆100Updated last year
- Python Library for Automating Molecular Simulations☆88Updated last week
- ☆59Updated last year